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AG009CE3

Name: Palonosetron
Brand: Angene Chemical
SKU: AG009CE3

135729-61-2 | Palonosetron

Chemical structure of Palonosetron, CAS 135729-61-2

AG009CE3

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CAS Number	135729-61-2
Catalog Number	AG009CE3(AGN-PC-0PKP0E)
Chemical Name	Palonosetron
IUPAC Name	(3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one
InChI	InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
InChI Key	CPZBLNMUGSZIPR-NVXWUHKLSA-N
MDL Number	MFCD07783848
Molecular Formula	C19H24N2O
Molecular Weight	296.4067
SMILES	O=C1C2C3=C(C=CC=2)CCC[C@@H]3CN1[C@H]1C2CCN(CC2)C1
UNII	5D06587D6R
Synonyms	2-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one, 2-QHBIQO, Aloxi, palonosetron, palonosetron hydrochloride, Palonosetron, (3R)-, palonosetron, (R-(R,R))-isomer, palonosetron, (R-(R,S))-isomer, palonosetron, (S-(R,S))-isomer, RS 25233 197, RS 25233 198, RS 25233-197, RS 25233-198, RS 25233197, RS 25233198, RS 25259, RS 25259 197, RS 25259 198, RS 25259-197, RS 25259-198, RS 25259197, RS 25259198, RS-25233-197, RS-25233-198, RS-25259, RS-25259-197, RS-25259-198, RS25233197, RS25233198, RS25259, RS25259197, RS25259198, Palonosetron, 135729-61-2, Aloxi, Palonosetron [INN], Palonosetronum, 2-Qhbiqo, UNII-5D06587D6R, Aloxi (TN), CHEBI:85161, Palonosetron (INN), 5D06587D6R, (-)-Palonosetron, (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one, 2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one, (S-(R,R))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one, 149653-99-6, SCHEMBL3746, AC1O3U53, GTPL7486, CHEMBL1189679, DTXSID5048342, SCHEMBL13391549, CPZBLNMUGSZIPR-NVXWUHKLSA-N, 1H-Benz(de)isoquinolin-1-one, 2-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (S-(R,R))-, BCP07225, HY-A0018, ZINC3795819, ABP001085, BDBM50417287, MFCD07783848, AKOS015967749, AKOS025311243, CS-0385, DB00377, AS-35217, SC-77333, P-226, ST24048872, D07175, EN300-220764, W-5359, AB00698542-05, AB00698542_07, 653P996, Q-100993, Z2216208607, (3aS)-2,3,3a,4,5,6-hexahydro-2-[(3S)-3-quinuclidinyl]-1H-benz[de]isoquinolin-1-one, (S)-2-((S)-quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one, (3aS)-2-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-2,3,3a, 4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one, (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one, (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one., (5S)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-trien-2-one, Onicit, AUROTHIOGLUCOSE, Palonosetron hydrochloride, Palonosetron racemic, PALONOSETRON HCl, Palonosetron, (3R)-, D04FVU, D0A4BR, UNII-29WVV1OJ05, C19H24N2O, C19-H24-N2-O, palonosetron, (R-(R,R))-isomer, palonosetron, (R-(R,S))-isomer, palonosetron, (S-(R,S))-isomer, RS 25259-197, RS-25259-197, CID6337614, CS-O-02107, RS25259, RS 25233-197, RS 25233-198, RS 25259-198, RS-25233-197, RS-25233-198, RS-25259-198, RS 25259, RS-25259, 2167B, RS25233197, RS25233198, RS25259197, RS25259198, RS 25233197, RS 25233198, RS 25259197, RS 25259198, RS 25233 197, RS 25233 198, RS 25259 197, RS 25259 198, C083418, 135729-56-5, D000077924, 135729-62-3, 2-((3S)-1-Azabicyclo(2.2.2)oct-3-yl) 2,4,5,6-tetrahydro-1H-benzo(de)isoquinolin-1-one, (3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one, (3aS)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one, 119904-90-4, 1H-Benz(de)isoquinolin-1-one, 2-((3S)-1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (3aS)-,

Complexity	456
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	296.189g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.414g/mol
Monoisotopic Mass	296.189g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited

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